2-[(E)-hept-2-enoxy]oxane

C12H22O2 — CID 12861157

IUPAC2-[(E)-hept-2-enoxy]oxane
SMILESCCCC/C=C/COC1CCCCO1
InChIInChI=1S/C12H22O2/c1-2-3-4-5-7-10-13-12-9-6-8-11-14-12/h5,7,12H,2-4,6,8-11H2,1H3/b7-5+
InChIKeyFYLWUMMZHMJGMY-FNORWQNLSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds6

About 2-[(E)-hept-2-enoxy]oxane

2-[(E)-hept-2-enoxy]oxane (PubChem CID 12861157) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(E)-hept-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-hept-2-enoxy]oxane
PubChem CID12861157
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[(E)-hept-2-enoxy]oxane
SMILESCCCC/C=C/COC1CCCCO1
InChIInChI=1S/C12H22O2/c1-2-3-4-5-7-10-13-12-9-6-8-11-14-12/h5,7,12H,2-4,6,8-11H2,1H3/b7-5+
InChIKeyFYLWUMMZHMJGMY-FNORWQNLSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-[(E)-dec-3-enoxy]oxane
CID 15649194
2-(8-chlorooct-2-enoxy)oxane
CID 71417540
(2R)-2-[(E)-5-bromopent-2-enoxy]oxane
CID 125476035
2-[(E)-5-iodopent-2-enoxy]oxane
CID 12871483
2-[(E)-7,7-diiodohept-2-enoxy]oxane
CID 45278178
2-[(E)-undec-2-en-5-ynoxy]oxane
CID 134976144
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2-[(E)-hept-2-en-6-ynoxy]oxane
CID 14728076

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hept-2-enoxy]oxane?
The IUPAC name of 2-[(E)-hept-2-enoxy]oxane (CID 12861157) is 2-[(E)-hept-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-hept-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-hept-2-enoxy]oxane is CCCC/C=C/COC1CCCCO1.
What is the InChIKey of 2-[(E)-hept-2-enoxy]oxane?
The InChIKey is FYLWUMMZHMJGMY-FNORWQNLSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-4-5-7-10-13-12-9-6-8-11-14-12/h5,7,12H,2-4,6,8-11H2,1H3/b7-5+.
What are the key properties of 2-[(E)-hept-2-enoxy]oxane?
2-[(E)-hept-2-enoxy]oxane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hept-2-enoxy]oxane is sourced from PubChem (CID 12861157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).